4-[[4-[3-methyl-1-(phenylmethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-methyl-1-(phenylmethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(1-benzyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(1-benzyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(1-benzyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Formula: C22H18N6 MolecularWeight: 366.41852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C22H18N6/c1-16-20(15-28(27-16)14-18-5-3-2-4-6-18)21-11-12-24-22(26-21)25-19-9-7-17(13-23)8-10-19/h2-12,15H,14H2,1H3,(H,24,25,26)